1.0 2020-03-25 17:53:06 UTC 2020-04-22 19:07:57 UTC BMDB0097993 TG(15:0/14:1(9Z)/18:3(9Z,12Z,15Z)) 1-Pentadecanoyl-2-(9Z-tetradecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Pentadecanoyl-2-myristoleoyl-3-a-linolenoyl-glycerol TAG(15:0/14:1/18:3) TAG(47:4) TG(15:0/14:1/18:3) TG(47:4) Tracylglycerol(15:0/14:1/18:3) Tracylglycerol(47:4) Triacylglycerol Triglyceride TG(15:0/14:1(9Z)/18:3(9Z,12Z,15Z)) C50H88O6 785.248 784.658090554 (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t47-/m0/s1 NWRIOAUZEFQGES-LWFNPGACSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Lineolic acids and derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.53 ALOGPS logs -8.02 ALOGPS logp 17.03 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 785.248 ChemAxon mono_mass 784.658090554 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C50H88O6 ChemAxon inchi InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,47H,4-6,8-9,11-14,17,20-23,26-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-/t47-/m0/s1 ChemAxon inchikey NWRIOAUZEFQGES-LWFNPGACSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.16 ChemAxon polarizability 101.84 ChemAxon rotatable_bond_count 45 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 193575 Specdb::MsMs 679153 Specdb::MsMs 679154 Specdb::MsMs 679155 Specdb::MsMs 968248 Specdb::MsMs 968249 Specdb::MsMs 968250 Specdb::MsMs 2357280 Specdb::MsMs 2357281 Specdb::MsMs 2357282 Specdb::MsMs 2419575 Specdb::MsMs 2419576 Specdb::MsMs 2419577 Specdb::MsMs 2608803 Specdb::MsMs 2608804 Specdb::MsMs 2608805 Specdb::MsMs 2609738 Specdb::MsMs 2609739 Specdb::MsMs 2609740 Specdb::MsMs 2948481 Specdb::MsMs 2948482 Specdb::MsMs 2948483 131754312